8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane

C12H23NO — CID 159627885

IUPAC8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane
SMILESCC1C(C)C2C1COCCN2C(C)C
InChIInChI=1S/C12H23NO/c1-8(2)13-5-6-14-7-11-9(3)10(4)12(11)13/h8-12H,5-7H2,1-4H3
InChIKeyUFVUYWSAVBUFMM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.00
Rot. Bonds1

About 8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane

8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane (PubChem CID 159627885) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane.

Molecular Properties

Compound Name8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane
PubChem CID159627885
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane
SMILESCC1C(C)C2C1COCCN2C(C)C
InChIInChI=1S/C12H23NO/c1-8(2)13-5-6-14-7-11-9(3)10(4)12(11)13/h8-12H,5-7H2,1-4H3
InChIKeyUFVUYWSAVBUFMM-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane?
The IUPAC name of 8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane (CID 159627885) is 8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane.
What is the SMILES notation for 8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane?
The canonical SMILES for 8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane is CC1C(C)C2C1COCCN2C(C)C.
What is the InChIKey of 8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane?
The InChIKey is UFVUYWSAVBUFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-8(2)13-5-6-14-7-11-9(3)10(4)12(11)13/h8-12H,5-7H2,1-4H3.
What are the key properties of 8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane?
8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane has a molecular weight of 197.32 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane is sourced from PubChem (CID 159627885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).